(2E,3Z,5Z)-1-(benzenesulfonyl)-2-ethylidenehepta-3,5-dien-1-amine

C15H19NO2S — CID 137444689

IUPAC(2E,3Z,5Z)-1-(benzenesulfonyl)-2-ethylidenehepta-3,5-dien-1-amine
SMILESC/C=C\C=C/C(=C\C)C(N)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H19NO2S/c1-3-5-7-10-13(4-2)15(16)19(17,18)14-11-8-6-9-12-14/h3-12,15H,16H2,1-2H3/b5-3-,10-7-,13-4+
InChIKeyKNLCAJDFSYLMSU-JSQXYQFQSA-N
MW277.39 g/mol
LogP2.82
Rot. Bonds5

About (2E,3Z,5Z)-1-(benzenesulfonyl)-2-ethylidenehepta-3,5-dien-1-amine

(2E,3Z,5Z)-1-(benzenesulfonyl)-2-ethylidenehepta-3,5-dien-1-amine (PubChem CID 137444689) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is (2E,3Z,5Z)-1-(benzenesulfonyl)-2-ethylidenehepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(2E,3Z,5Z)-1-(benzenesulfonyl)-2-ethylidenehepta-3,5-dien-1-amine
PubChem CID137444689
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name(2E,3Z,5Z)-1-(benzenesulfonyl)-2-ethylidenehepta-3,5-dien-1-amine
SMILESC/C=C\C=C/C(=C\C)C(N)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H19NO2S/c1-3-5-7-10-13(4-2)15(16)19(17,18)14-11-8-6-9-12-14/h3-12,15H,16H2,1-2H3/b5-3-,10-7-,13-4+
InChIKeyKNLCAJDFSYLMSU-JSQXYQFQSA-N
XLogP2.82
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z,5Z)-1-(benzenesulfonyl)-2-ethylidenehepta-3,5-dien-1-amine?
The IUPAC name of (2E,3Z,5Z)-1-(benzenesulfonyl)-2-ethylidenehepta-3,5-dien-1-amine (CID 137444689) is (2E,3Z,5Z)-1-(benzenesulfonyl)-2-ethylidenehepta-3,5-dien-1-amine.
What is the SMILES notation for (2E,3Z,5Z)-1-(benzenesulfonyl)-2-ethylidenehepta-3,5-dien-1-amine?
The canonical SMILES for (2E,3Z,5Z)-1-(benzenesulfonyl)-2-ethylidenehepta-3,5-dien-1-amine is C/C=C\C=C/C(=C\C)C(N)S(=O)(=O)c1ccccc1.
What is the InChIKey of (2E,3Z,5Z)-1-(benzenesulfonyl)-2-ethylidenehepta-3,5-dien-1-amine?
The InChIKey is KNLCAJDFSYLMSU-JSQXYQFQSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-3-5-7-10-13(4-2)15(16)19(17,18)14-11-8-6-9-12-14/h3-12,15H,16H2,1-2H3/b5-3-,10-7-,13-4+.
What are the key properties of (2E,3Z,5Z)-1-(benzenesulfonyl)-2-ethylidenehepta-3,5-dien-1-amine?
(2E,3Z,5Z)-1-(benzenesulfonyl)-2-ethylidenehepta-3,5-dien-1-amine has a molecular weight of 277.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z,5Z)-1-(benzenesulfonyl)-2-ethylidenehepta-3,5-dien-1-amine is sourced from PubChem (CID 137444689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).